1-[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one

C16H21FN2O3 — CID 131695272

IUPAC1-[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CC2(CC(Oc3ncccc3F)CCO2)C1
InChIInChI=1S/C16H21FN2O3/c1-11(2)15(20)19-9-16(10-19)8-12(5-7-21-16)22-14-13(17)4-3-6-18-14/h3-4,6,11-12H,5,7-10H2,1-2H3
InChIKeyHSLUXWNLSRLARV-UHFFFAOYSA-N
MW308.35 g/mol
LogP2.02
Rot. Bonds3

About 1-[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one

1-[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one (PubChem CID 131695272) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is 1-[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one
PubChem CID131695272
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Name1-[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CC2(CC(Oc3ncccc3F)CCO2)C1
InChIInChI=1S/C16H21FN2O3/c1-11(2)15(20)19-9-16(10-19)8-12(5-7-21-16)22-14-13(17)4-3-6-18-14/h3-4,6,11-12H,5,7-10H2,1-2H3
InChIKeyHSLUXWNLSRLARV-UHFFFAOYSA-N
XLogP2.02
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-3-methylbutan-1-one
CID 131692833
1-[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-(2-methylphenyl)ethanone
CID 131649503
[(8S)-8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyridazin-4-ylmethanone
CID 124792892
[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,2-oxazol-4-yl)methanone
CID 133142243
[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methylcyclopropyl)methanone;2,2,2-trifluoroacetic acid
CID 155865110
[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 155823619
8-[(3-fluoro-2-pyridinyl)oxy]-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonane
CID 131663766
2-benzyl-8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonane
CID 131653629
8-[(3-fluoro-2-pyridinyl)oxy]-2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155845906
2-(2-fluorophenyl)-1-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone
CID 131648181
[(8R)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone
CID 124791257
[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methylcyclohexyl)methanone
CID 155871177

Frequently Asked Questions

What is the IUPAC name of 1-[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one (CID 131695272) is 1-[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CC2(CC(Oc3ncccc3F)CCO2)C1.
What is the InChIKey of 1-[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one?
The InChIKey is HSLUXWNLSRLARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3/c1-11(2)15(20)19-9-16(10-19)8-12(5-7-21-16)22-14-13(17)4-3-6-18-14/h3-4,6,11-12H,5,7-10H2,1-2H3.
What are the key properties of 1-[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one?
1-[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one has a molecular weight of 308.35 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one is sourced from PubChem (CID 131695272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).